1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione

C13H22N2O3 — CID 73319663

IUPAC1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCC(O)C1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-9(16)11-7-14-12(17)13(18)15(11)8-10-5-3-2-4-6-10/h9-11,16H,2-8H2,1H3,(H,14,17)
InChIKeyOFBAIWAGKDQOJF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds3

About 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione

1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione (PubChem CID 73319663) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
PubChem CID73319663
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCC(O)C1CNC(=O)C(=O)N1CC1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-9(16)11-7-14-12(17)13(18)15(11)8-10-5-3-2-4-6-10/h9-11,16H,2-8H2,1H3,(H,14,17)
InChIKeyOFBAIWAGKDQOJF-UHFFFAOYSA-N
XLogP0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The IUPAC name of 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione (CID 73319663) is 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione is CC(O)C1CNC(=O)C(=O)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
The InChIKey is OFBAIWAGKDQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(16)11-7-14-12(17)13(18)15(11)8-10-5-3-2-4-6-10/h9-11,16H,2-8H2,1H3,(H,14,17).
What are the key properties of 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione?
1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione has a molecular weight of 254.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione is sourced from PubChem (CID 73319663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).